FusionCLM: enhanced molecular property prediction via knowledge fusion of chemical language models

Chemical Language Models (CLMs) have demonstrated capabilities in extracting patterns and predicting from vast volume of the Simplified Molecular Input Line Entry System (SMILES), a notation used to represent molecular structures. Different CLMs, developed from various architectures, can provide uni...

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Bibliographic Details
Published in:	Journal of cheminformatics Vol. 17; no. 1; pp. 133 - 12
Main Authors:	Lu, Yutong, Li, Yan Yi, Sun, Yan, Hu, Pingzhao
Format:	Journal Article
Language:	English
Published:	Cham Springer International Publishing 29.08.2025 BioMed Central Ltd Springer Nature B.V BMC
Subjects:	Chemistry Chemistry and Materials Science Computational Biology/Bioinformatics Computer Applications in Chemistry Data mining Datasets Deep learning Documentation and Information in Chemistry Drug development Drug discovery Ensemble learning Knowledge fusion Language Large language Models Machine learning Molecular properties Molecular property prediction Molecular structure Predictions Theoretical and Computational Chemistry Uniqueness Knowledge fusion Large language Models Molecular property prediction Drug discovery Ensemble learning
ISSN:	1758-2946, 1758-2946
Online Access:	Get full text
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